ethyl 3-hydroxy-3-(pyridin-3-yl)prop-2-enoate hydrochloride

ethyl 3-hydroxy-3-(pyridin-3-yl)prop-2-enoate hydrochloride

CAS: 90922-54-6

Formula: C10H12ClNO3

SMILES: Cl.CCOC(=O)C=C(O)C1=CC=CN=C1

IUPAC: ethyl 3-hydroxy-3-(pyridin-3-yl)prop-2-enoate hydrochloride

InChI: InChI=1S/C10H11NO3.ClH/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8;/h3-7,12H,2H2,1H3;1H

Composition: C (52.30%), H (5.27%), Cl (15.44%), N (6.10%), O (20.90%)

Molar Mass: 229.66

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.050571
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XKGFLOFKHRONKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.31
Topological Polar Surface Area	59.42
Polarizability	19.79
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	90922-54-6		$1,760.00-$2,596.00$1,760.00$2,596.00